CID 55957

Carbamic acid, ethyl-, 5,6-dichloro-2-(trifluoromethyl)-4-benzimidazolyl ester

Structural Information

Molecular Formula
C11H8Cl2F3N3O2
SMILES
CCNC(=O)OC1=C2C(=CC(=C1Cl)Cl)NC(=N2)C(F)(F)F
InChI
InChI=1S/C11H8Cl2F3N3O2/c1-2-17-10(20)21-8-6(13)4(12)3-5-7(8)19-9(18-5)11(14,15)16/h3H,2H2,1H3,(H,17,20)(H,18,19)
InChIKey
YJZWOOIORFWOOU-UHFFFAOYSA-N
Compound name
[5,6-dichloro-2-(trifluoromethyl)-1H-benzimidazol-4-yl] N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.99457 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.00185 165.9
[M+Na]+ 363.98379 178.6
[M-H]- 339.98729 163.4
[M+NH4]+ 359.02839 180.8
[M+K]+ 379.95773 171.5
[M+H-H2O]+ 323.99183 158.0
[M+HCOO]- 385.99277 173.9
[M+CH3COO]- 400.00842 205.6
[M+Na-2H]- 361.96924 168.7
[M]+ 340.99402 168.1
[M]- 340.99512 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.