CID 12834137

(r)-2-(formyloxy)-2-phenylacetic acid

Structural Information

Molecular Formula
C9H8O4
SMILES
C1=CC=C(C=C1)[C@H](C(=O)O)OC=O
InChI
InChI=1S/C9H8O4/c10-6-13-8(9(11)12)7-4-2-1-3-5-7/h1-6,8H,(H,11,12)/t8-/m1/s1
InChIKey
YFRDJVJDAXMXSQ-MRVPVSSYSA-N
Compound name
(2R)-2-formyloxy-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

180.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.049526 134.8
[M+Na]+ 203.031468 141.6
[M-H]- 179.034974 137.1
[M+NH4]+ 198.076073 153.6
[M+K]+ 219.005408 140.7
[M+H-H2O]+ 163.039510 129.0
[M+HCOO]- 225.040451 157.1
[M+CH3COO]- 239.056101 176.8
[M+Na-2H]- 201.016916 140.0
[M]+ 180.04170142 135.9
[M]- 180.04279858 135.9
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