CID 135461928

330196-48-0

Structural Information

Molecular Formula
C12H10ClN3O
SMILES
CN1C2=CC=CC=C2N=C1/C(=C(/CCl)\O)/C#N
InChI
InChI=1S/C12H10ClN3O/c1-16-10-5-3-2-4-9(10)15-12(16)8(7-14)11(17)6-13/h2-5,17H,6H2,1H3/b11-8-
InChIKey
DWILXDFKUQCMPO-FLIBITNWSA-N
Compound name
(Z)-4-chloro-3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05124 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05852 156.4
[M+Na]+ 270.04046 168.5
[M-H]- 246.04396 156.3
[M+NH4]+ 265.08506 172.2
[M+K]+ 286.01440 161.4
[M+H-H2O]+ 230.04850 142.9
[M+HCOO]- 292.04944 168.5
[M+CH3COO]- 306.06509 201.0
[M+Na-2H]- 268.02591 159.0
[M]+ 247.05069 153.8
[M]- 247.05179 153.8
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.