CID 2757659

4-chloro-3-methylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

154.01854 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02582 126.3
[M+Na]+ 177.00776 141.8
[M+NH4]+ 172.05236 136.3
[M+K]+ 192.98170 133.9
[M-H]- 153.01126 129.3
[M+Na-2H]- 174.99321 134.7
[M]+ 154.01799 129.8
[M]- 154.01909 129.8
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