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]+ 187.00690 131.1
[M+Na]+ 208.98884 144.7
[M-H]- 184.99234 134.6
[M+NH4]+ 204.03344 152.3
[M+K]+ 224.96278 141.0
[M+H-H2O]+ 168.99688 125.3
[M+HCOO]- 230.99782 151.1
[M+CH3COO]- 245.01347 146.4
[M+Na-2H]- 206.97429 138.9
[M]+ 185.99907 134.3
[M]- 186.00017 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.