CID 627824

4-(diphenylphosphino)benzoic acid

Structural Information

Molecular Formula
C19H15O2P
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C19H15O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,20,21)
InChIKey
GXMHDTPYKRTARV-UHFFFAOYSA-N
Compound name
4-diphenylphosphanylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

579
Patents

306.08096 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08824 173.1
[M+Na]+ 329.07018 177.9
[M-H]- 305.07368 179.7
[M+NH4]+ 324.11478 186.4
[M+K]+ 345.04412 173.0
[M+H-H2O]+ 289.07822 161.8
[M+HCOO]- 351.07916 198.8
[M+CH3COO]- 365.09481 203.5
[M+Na-2H]- 327.05563 172.6
[M]+ 306.08041 171.3
[M]- 306.08151 171.3
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