CID 4321318

2-(5-methylfur-2-yl)benzoic acid

Structural Information

Molecular Formula
C12H10O3
SMILES
CC1=CC=C(O1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C12H10O3/c1-8-6-7-11(15-8)9-4-2-3-5-10(9)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey
NZZBFUOEILKXDN-UHFFFAOYSA-N
Compound name
2-(5-methylfuran-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

202.06299 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07027 141.0
[M+Na]+ 225.05221 149.9
[M-H]- 201.05571 148.0
[M+NH4]+ 220.09681 160.1
[M+K]+ 241.02615 148.3
[M+H-H2O]+ 185.06025 135.4
[M+HCOO]- 247.06119 164.4
[M+CH3COO]- 261.07684 181.7
[M+Na-2H]- 223.03766 145.6
[M]+ 202.06244 142.8
[M]- 202.06354 142.8
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