CID 135506210

Brn 0939780

Structural Information

Molecular Formula
C8HCl2F3N4O4
SMILES
C12=C(C(=C(C(=C1Cl)[N+](=O)[O-])Cl)[N+](=O)[O-])N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HCl2F3N4O4/c9-1-3-4(15-7(14-3)8(11,12)13)6(17(20)21)2(10)5(1)16(18)19/h(H,14,15)
InChIKey
FKOIDCFHGAGTEE-UHFFFAOYSA-N
Compound name
5,7-dichloro-4,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.9327 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.93998 161.6
[M+Na]+ 366.92192 171.6
[M-H]- 342.92542 159.0
[M+NH4]+ 361.96652 173.8
[M+K]+ 382.89586 158.4
[M+H-H2O]+ 326.92996 163.5
[M+HCOO]- 388.93090 171.4
[M+CH3COO]- 402.94655 193.5
[M+Na-2H]- 364.90737 170.0
[M]+ 343.93215 159.2
[M]- 343.93325 159.2
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.