CID 43443838

4-fluoro-2-(methoxymethyl)aniline hydrochloride

Structural Information

Molecular Formula
C8H10FNO
SMILES
COCC1=C(C=CC(=C1)F)N
InChI
InChI=1S/C8H10FNO/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4H,5,10H2,1H3
InChIKey
CWHHPBHOEODQCR-UHFFFAOYSA-N
Compound name
4-fluoro-2-(methoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

155.07465 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08193 128.9
[M+Na]+ 178.06387 137.8
[M-H]- 154.06737 131.4
[M+NH4]+ 173.10847 150.0
[M+K]+ 194.03781 135.9
[M+H-H2O]+ 138.07191 122.6
[M+HCOO]- 200.07285 153.4
[M+CH3COO]- 214.08850 179.4
[M+Na-2H]- 176.04932 134.9
[M]+ 155.07410 127.8
[M]- 155.07520 127.8
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