CID 1392547

3-(4-methylphenyl)benzaldehyde

Structural Information

Molecular Formula
C14H12O
SMILES
CC1=CC=C(C=C1)C2=CC=CC(=C2)C=O
InChI
InChI=1S/C14H12O/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15/h2-10H,1H3
InChIKey
VEEXIHQTCQUWED-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

49
Patents

196.08882 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09610 140.8
[M+Na]+ 219.07804 149.7
[M-H]- 195.08154 148.1
[M+NH4]+ 214.12264 160.4
[M+K]+ 235.05198 145.9
[M+H-H2O]+ 179.08608 134.1
[M+HCOO]- 241.08702 165.8
[M+CH3COO]- 255.10267 185.5
[M+Na-2H]- 217.06349 147.7
[M]+ 196.08827 141.5
[M]- 196.08937 141.5
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