CID 2757658

4-chloro-2-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7ClO
SMILES
CC1=C(C=CC(=C1)Cl)C=O
InChI
InChI=1S/C8H7ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3
InChIKey
YLXSEAVHGJWSTK-UHFFFAOYSA-N
Compound name
4-chloro-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

346
Patents

154.01854 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe