CID 293464

102434-37-7

Structural Information

Molecular Formula
C10H10BrF3N2O
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NCCBr
InChI
InChI=1S/C10H10BrF3N2O/c11-5-6-15-9(17)16-8-4-2-1-3-7(8)10(12,13)14/h1-4H,5-6H2,(H2,15,16,17)
InChIKey
CZRXJQKEIFLDHC-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-[2-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.99286 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.00014 161.5
[M+Na]+ 332.98208 171.2
[M-H]- 308.98558 163.6
[M+NH4]+ 328.02668 179.2
[M+K]+ 348.95602 158.7
[M+H-H2O]+ 292.99012 157.5
[M+HCOO]- 354.99106 179.7
[M+CH3COO]- 369.00671 202.9
[M+Na-2H]- 330.96753 166.8
[M]+ 309.99231 174.8
[M]- 309.99341 174.8
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.