CID 46395

64037-22-5

Structural Information

Molecular Formula
C7H6ClN3O
SMILES
C1=CC2=C(C=C1Cl)N=C(O2)NN
InChI
InChI=1S/C7H6ClN3O/c8-4-1-2-6-5(3-4)10-7(11-9)12-6/h1-3H,9H2,(H,10,11)
InChIKey
QLFZBRRENHODQH-UHFFFAOYSA-N
Compound name
(5-chloro-1,3-benzoxazol-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.01994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.027216 133.1
[M+Na]+ 206.009158 144.8
[M-H]- 182.012664 137.5
[M+NH4]+ 201.053763 153.8
[M+K]+ 221.983098 141.4
[M+H-H2O]+ 166.017200 127.5
[M+HCOO]- 228.018141 155.2
[M+CH3COO]- 242.033791 147.9
[M+Na-2H]- 203.994606 142.5
[M]+ 183.01939142 136.2
[M]- 183.02048858 136.2
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