CID 11241402

364774-78-7

Structural Information

Molecular Formula
C9H10ClN2
SMILES
CN1C2=CC=CC=C2[N+](=C1Cl)C
InChI
InChI=1S/C9H10ClN2/c1-11-7-5-3-4-6-8(7)12(2)9(11)10/h3-6H,1-2H3/q+1
InChIKey
XIIAPXDGRPUIII-UHFFFAOYSA-N
Compound name
2-chloro-1,3-dimethylbenzimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

181.05325 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.060526 134.8
[M+Na]+ 204.042468 148.0
[M-H]- 180.045974 137.9
[M+NH4]+ 199.087073 156.5
[M+K]+ 220.016408 138.0
[M+H-H2O]+ 164.050510 131.6
[M+HCOO]- 226.051451 153.8
[M+CH3COO]- 240.067101 174.7
[M+Na-2H]- 202.027916 144.2
[M]+ 181.05270142 138.4
[M]- 181.05379858 138.4
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

patents stripe