CID 88783245

2-[(4-chlorophenyl)methyl]benzaldehyde

Structural Information

Molecular Formula
C14H11ClO
SMILES
C1=CC=C(C(=C1)CC2=CC=C(C=C2)Cl)C=O
InChI
InChI=1S/C14H11ClO/c15-14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-16/h1-8,10H,9H2
InChIKey
ZVVBWUHNZYTNBH-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

230.04984 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.057116 147.9
[M+Na]+ 253.039058 157.6
[M-H]- 229.042564 154.8
[M+NH4]+ 248.083663 166.9
[M+K]+ 269.012998 151.8
[M+H-H2O]+ 213.047100 141.7
[M+HCOO]- 275.048041 168.1
[M+CH3COO]- 289.063691 189.3
[M+Na-2H]- 251.024506 154.1
[M]+ 230.04929142 150.7
[M]- 230.05038858 150.7
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