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

288
Patents

154.01854 Da
Monoisotopic Mass

2.6
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

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Patent stripe

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