CID 13162662

3-chloro-2-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7ClO
SMILES
CC1=C(C=CC=C1Cl)C=O
InChI
InChI=1S/C8H7ClO/c1-6-7(5-10)3-2-4-8(6)9/h2-5H,1H3
InChIKey
WMDHVKYUOKHNQK-UHFFFAOYSA-N
Compound name
3-chloro-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

154.01854 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.025816 125.5
[M+Na]+ 177.007758 136.4
[M-H]- 153.011264 129.9
[M+NH4]+ 172.052363 148.1
[M+K]+ 192.981698 132.8
[M+H-H2O]+ 137.015800 121.6
[M+HCOO]- 199.016741 146.4
[M+CH3COO]- 213.032391 175.6
[M+Na-2H]- 174.993206 132.7
[M]+ 154.01799142 128.6
[M]- 154.01908858 128.6
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