CID 62367703

7-chloro-5-fluoro-1,3-benzoxazol-2-amine

Structural Information

Molecular Formula
C7H4ClFN2O
SMILES
C1=C(C=C(C2=C1N=C(O2)N)Cl)F
InChI
InChI=1S/C7H4ClFN2O/c8-4-1-3(9)2-5-6(4)12-7(10)11-5/h1-2H,(H2,10,11)
InChIKey
YITNXYQUTPOGQL-UHFFFAOYSA-N
Compound name
7-chloro-5-fluoro-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.99962 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.006896 131.1
[M+Na]+ 208.988838 144.7
[M-H]- 184.992344 134.6
[M+NH4]+ 204.033443 152.3
[M+K]+ 224.962778 141.0
[M+H-H2O]+ 168.996880 125.3
[M+HCOO]- 230.997821 151.1
[M+CH3COO]- 245.013471 146.4
[M+Na-2H]- 206.974286 138.9
[M]+ 185.99907142 134.3
[M]- 186.00016858 134.3
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

No patent data available for this compound.