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

184
Patents

181.05325 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06053 134.8
[M+Na]+ 204.04247 148.0
[M-H]- 180.04597 137.9
[M+NH4]+ 199.08707 156.5
[M+K]+ 220.01641 138.0
[M+H-H2O]+ 164.05051 131.6
[M+HCOO]- 226.05145 153.8
[M+CH3COO]- 240.06710 174.7
[M+Na-2H]- 202.02792 144.2
[M]+ 181.05270 138.4
[M]- 181.05380 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