CID 55948

89427-08-7

Structural Information

Molecular Formula
C9H3ClF3N3
SMILES
C1=C(C=C2C(=C1C#N)N=C(N2)C(F)(F)F)Cl
InChI
InChI=1S/C9H3ClF3N3/c10-5-1-4(3-14)7-6(2-5)15-8(16-7)9(11,12)13/h1-2H,(H,15,16)
InChIKey
DUUONMUYQRZUOH-UHFFFAOYSA-N
Compound name
6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.99677 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00405 145.2
[M+Na]+ 267.98599 159.5
[M-H]- 243.98949 142.0
[M+NH4]+ 263.03059 161.3
[M+K]+ 283.95993 152.0
[M+H-H2O]+ 227.99403 130.1
[M+HCOO]- 289.99497 155.3
[M+CH3COO]- 304.01062 199.1
[M+Na-2H]- 265.97144 150.0
[M]+ 244.99622 138.9
[M]- 244.99732 138.9
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.