CID 50877058

749931-54-2

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O

SMILES

CC(C)N1C2=C(C=C(C=C2)Cl)N=C1C=O

InChI

InChI=1S/C11H11ClN2O/c1-7(2)14-10-4-3-8(12)5-9(10)13-11(14)6-15/h3-7H,1-2H3

InChIKey

NHBHINGTRFBGRR-UHFFFAOYSA-N

Compound name

5-chloro-1-propan-2-ylbenzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 222.05598 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.063256	145.6
[M+Na]+	245.045198	158.1
[M-H]-	221.048704	148.4
[M+NH4]+	240.089803	165.8
[M+K]+	261.019138	153.2
[M+H-H2O]+	205.053240	139.3
[M+HCOO]-	267.054181	163.7
[M+CH3COO]-	281.069831	189.0
[M+Na-2H]-	243.030646	150.4
[M]+	222.05543142	151.4
[M]-	222.05652858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe