CID 67498

Anthranil

Structural Information

Molecular Formula
C7H5NO
SMILES
C1=CC2=CON=C2C=C1
InChI
InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H
InChIKey
FZKCAHQKNJXICB-UHFFFAOYSA-N
Compound name
2,1-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

7147
Patents

119.03712 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04440 116.1
[M+Na]+ 142.02634 127.0
[M-H]- 118.02984 120.7
[M+NH4]+ 137.07094 139.0
[M+K]+ 158.00028 126.3
[M+H-H2O]+ 102.03438 110.5
[M+HCOO]- 164.03532 141.6
[M+CH3COO]- 178.05097 132.3
[M+Na-2H]- 140.01179 128.0
[M]+ 119.03657 118.9
[M]- 119.03767 118.9
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