CID 59224129

4-(difluoromethoxy)-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C8H6F2O4
SMILES
C1=CC(=C(C=C1C(=O)O)O)OC(F)F
InChI
InChI=1S/C8H6F2O4/c9-8(10)14-6-2-1-4(7(12)13)3-5(6)11/h1-3,8,11H,(H,12,13)
InChIKey
BWKXOOXYCKHVMK-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

204.02342 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03070 141.2
[M+Na]+ 227.01264 150.2
[M+NH4]+ 222.05724 146.2
[M+K]+ 242.98658 147.0
[M-H]- 203.01614 137.7
[M+Na-2H]- 224.99809 144.0
[M]+ 204.02287 141.0
[M]- 204.02397 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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